Indeterminacies in the vt(E) = 1 Levels of C3v Symmetric-Top Molecules
The theory of the reduction of the effective rotation-vibration Hamiltonian for vt(E) = 1 states of C3v molecules of E. I. Lobodenko et al. (1987, J. Mol. Spectrosc. 126, 159-170) has been extended to include higher-order terms. Constraints suitable for most cases are proposed and alternative choices are discussed. Relations previously observed empirically among the higher-order parameters are explained by the extended reduction theory, and new relations are derived. Good agreement between the theoretical predictions and the experimental data is observed. Copyright 1998 Academic Press. Copyright 1998Academic Press
Watson
JKG
Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario, K1A 0R6, Canada
Gerke
C
Harder
H
Sarka
K